N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine

C20H24N6 — CID 24801036

IUPACN-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESc1cc(NC2=NCCN2)ccc1CCc1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C20H24N6/c1(15-3-7-17(8-4-15)25-19-21-11-12-22-19)2-16-5-9-18(10-6-16)26-20-23-13-14-24-20/h3-10H,1-2,11-14H2,(H2,21,22,25)(H2,23,24,26)
InChIKeyFVMINRJLBADTKR-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.21
Rot. Bonds5

About N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 24801036) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID24801036
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC NameN-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESc1cc(NC2=NCCN2)ccc1CCc1ccc(NC2=NCCN2)cc1
InChIInChI=1S/C20H24N6/c1(15-3-7-17(8-4-15)25-19-21-11-12-22-19)2-16-5-9-18(10-6-16)26-20-23-13-14-24-20/h3-10H,1-2,11-14H2,(H2,21,22,25)(H2,23,24,26)
InChIKeyFVMINRJLBADTKR-UHFFFAOYSA-N
XLogP2.21
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 24801036) is N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is c1cc(NC2=NCCN2)ccc1CCc1ccc(NC2=NCCN2)cc1.
What is the InChIKey of N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is FVMINRJLBADTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1(15-3-7-17(8-4-15)25-19-21-11-12-22-19)2-16-5-9-18(10-6-16)26-20-23-13-14-24-20/h3-10H,1-2,11-14H2,(H2,21,22,25)(H2,23,24,26).
What are the key properties of N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 348.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 24801036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).